============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 33 0.840 24.039 25.279 31.944 -99.200 -91.000 TYR 42 0.840 29.213 32.100 23.405 -99.200 -91.000 PHE 53 1.000 26.898 34.523 18.566 -99.200 -91.000 TRP 55 1.040 23.213 42.211 25.858 -99.200 -91.000 TRP6 55 1.020 21.630 42.713 27.549 -99.200 -91.000 HIS 60 0.900 14.806 31.006 25.802 -99.200 -91.000 HIS 97 0.900 34.764 41.359 38.869 -99.200 -91.000 TYR 110 0.840 48.963 39.540 48.881 -99.200 -91.000 HIS 111 0.900 54.396 35.966 40.386 -99.200 -91.000 TYR 126 0.840 39.814 35.891 35.671 -99.200 -91.000 PHE 147 1.000 45.052 23.753 29.343 -99.200 -91.000 PHE 156 1.000 37.662 13.658 31.796 -99.200 -91.000 TYR 162 0.840 47.882 12.896 33.616 -99.200 -91.000 HIS 186 0.900 34.561 23.583 28.541 -99.200 -91.000 TYR 187 0.840 40.853 26.208 31.424 -99.200 -91.000 TYR 220 0.840 22.531 36.660 55.170 -99.200 -91.000 HIS 221 0.900 24.063 42.771 52.474 -99.200 -91.000 HIS 234 0.900 17.979 22.265 40.247 -99.200 -91.000 PHE 236 1.000 20.465 20.966 34.161 -99.200 -91.000 PHE 245 1.000 23.539 20.418 28.047 -99.200 -91.000 TRP 252 1.040 31.599 17.113 32.500 -99.200 -91.000 TRP6 252 1.020 32.006 18.922 31.038 -99.200 -91.000 PHE 253 1.000 27.767 15.235 37.866 -99.200 -91.000 HIS 262 0.900 16.799 27.496 24.231 -99.200 -91.000 HIS 264 0.900 19.651 31.562 22.536 -99.200 -91.000